SCHEMBL1437465

SCHEMBL1437465

CC1(C)OB(c2ccccc2NCC[N+](=O)[O-])OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 8/20 0.35
▸ KAT2B Q92831 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9893862 0.76 CA12 (0.51) LIPEALDH1A1
SCHEMBL9901870 0.75 LPL (0.44) LPLLIPGSMN1; SMN2
SCHEMBL18340928 0.74 KAT2B (0.41) KAT2BALDH1A1MAPTKDM4EKMT2A
SCHEMBL16967649 0.74 LPL (0.43) LIPEALDH1A1MAPTKDM4ELPL
SCHEMBL23045913 0.74 LPL (0.46) LIPELPLLIPG
SCHEMBL30641359 0.71 LPL (0.36) LIPELPLLIPG
SCHEMBL26674611 0.71 LIPE (0.37) LIPELPLLIPG
SCHEMBL26674635 0.71 LIPE (0.43) LIPELPLLIPG
SCHEMBL26674731 0.71 LPL (0.36) LIPELPLLIPG
SCHEMBL520862 0.71 KEAP1 (0.44) LIPEKAT2BALDH1A1KMT2ALPL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470502-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS Novartis AG (CH) 2012-07-04 — — EP disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 — — US disclosed
WO-2011023677-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2011-03-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 LIPE 4474/4885KAT2B 3126/4885ALDH1A1 4361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback